4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine

C29H27N5O — CID 3425802

IUPAC4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine
SMILESc1ccc(C2=NN(c3cc(N4CCOCC4)nc(-c4ccccc4)n3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C29H27N5O/c1-4-10-22(11-5-1)25-20-26(23-12-6-2-7-13-23)34(32-25)28-21-27(33-16-18-35-19-17-33)30-29(31-28)24-14-8-3-9-15-24/h1-15,21,26H,16-20H2
InChIKeyCMZMSJBFABMBKH-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.34
Rot. Bonds5

About 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine

4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 3425802) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID3425802
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC Name4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine
SMILESc1ccc(C2=NN(c3cc(N4CCOCC4)nc(-c4ccccc4)n3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C29H27N5O/c1-4-10-22(11-5-1)25-20-26(23-12-6-2-7-13-23)34(32-25)28-21-27(33-16-18-35-19-17-33)30-29(31-28)24-14-8-3-9-15-24/h1-15,21,26H,16-20H2
InChIKeyCMZMSJBFABMBKH-UHFFFAOYSA-N
XLogP5.34
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine (CID 3425802) is 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine is c1ccc(C2=NN(c3cc(N4CCOCC4)nc(-c4ccccc4)n3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is CMZMSJBFABMBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-4-10-22(11-5-1)25-20-26(23-12-6-2-7-13-23)34(32-25)28-21-27(33-16-18-35-19-17-33)30-29(31-28)24-14-8-3-9-15-24/h1-15,21,26H,16-20H2.
What are the key properties of 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 461.57 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 3425802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).